conc2ratio/std conc2ratio/std

conc2ratio/std conc2ratio/std#

Description#

conc2ratio transform: convert isotopologue concentrations to isotopic ratios.

Given a set of individual isotopologue concentrations (e.g. ¹²CH₄ and ¹³CH₄) and corresponding international standards (R_std), this transform computes the isotopic ratio signature in per-mil (‰):

\[\delta = \left(\frac{[iso]}{[ref]} \cdot \frac{1}{R_{std}} - 1\right) \times 1000\]

Forward: isotopologue concentrations → (δ-value, total concentration). Adjoint: propagates per-mil sensitivities back to individual isotopologue concentration sensitivities via the chain rule.

The transform saves the forward concentrations to disk (in a chain/conc2ratio sub-directory) so that the adjoint can reconstruct the Jacobian.

YAML arguments#

The following arguments are used to configure the plugin. pyCIF will return an exception at the initialization if mandatory arguments are not specified, or if any argument does not fit accepted values or type:

Optional arguments#

parameter : str, optional

Parameter name on which the transform works on

component : str, optional

Component name on which the transform works on

orig_parameter_plg : Plugin, optional

Plugin object on which the transform works on

orig_component_plg : Plugin, optional

Corresponding component object on which the transform works on

successor : str, optional

Name of the successor transform

precursor : str, optional

Name of the precursor transform

Requirements#

The current plugin requires the present plugins to run properly:

Requirement name

Requirement type

Explicit definition

Any valid

Default name

Default version

model

Model

False

True

None

None

YAML template#

Please find below a template for a YAML configuration:

 1transform:
 2  plugin:
 3    name: conc2ratio
 4    version: std
 5    type: transform
 6
 7  # Optional arguments
 8  parameter: XXXXX  # str
 9  component: XXXXX  # str
10  orig_parameter_plg: XXXXX  # Plugin
11  orig_component_plg: XXXXX  # Plugin
12  successor: XXXXX  # str
13  precursor: XXXXX  # str

See also

API reference (functions & code)